(8-ethynyl-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (8-ethynyl-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (8-ethynyl-6-fluoro-chroman-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-ethynyl-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester IUPAC Name: (8-ethynyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-ethynyl-6-fluoro-chroman-2-yl)methyl ester Formula: C19H17FO4S MolecularWeight: 360.399283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C(=CC(=C3)F)C#C

InChI

InChI=1S/C19H17FO4S/c1-3-14-10-16(20)11-15-6-7-17(24-19(14)15)12-23-25(21,22)18-8-4-13(2)5-9-18/h1,4-5,8-11,17H,6-7,12H2,2H3